REMARK  Name = BDB031069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.911   0.438   1.064  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.638  -0.010   1.032  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.320  -1.084   1.780  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.278  -1.737   2.554  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.587  -1.260   2.582  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.914  -0.145   1.824  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.301   0.869  -2.687  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        3.597   0.592  -1.570  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        2.913   1.624  -0.914  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        2.901   2.941  -1.373  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        2.161   3.716  -0.612  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.669   2.891   0.366  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        3.648   3.229  -2.548  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.151   1.602   0.239  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        4.317   2.243  -3.174  0.00  0.00    +0.051 A 
BRANCH   7  16
ATOM     16  O   LIG    1        5.029   0.012  -3.468  0.00  0.00    -0.433 OA
BRANCH  16  18
ATOM     17  F   LIG    1        5.921  -1.986  -3.937  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        5.126  -1.339  -3.048  0.00  0.00    +0.541 C 
ATOM     19  F   LIG    1        3.904  -1.920  -3.118  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1       -0.978  -1.615   1.752  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -1.299  -1.788   2.699  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.952  -0.882   0.952  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -3.230  -1.714   0.790  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.314  -0.666   0.489  0.00  0.00    -0.003 C 
ATOM     25  C   LIG    1       -4.969  -0.742  -0.919  0.00  0.00    +0.089 C 
ATOM     26  N   LIG    1       -6.007  -1.617  -0.335  0.00  0.00    -0.315 NA
ATOM     27  H   LIG    1       -6.946  -1.470  -0.700  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.746  -1.012   0.987  0.00  0.00    +0.089 C 
ATOM     29  C   LIG    1       -3.748   0.701   0.880  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1       -2.473   0.373   1.652  0.00  0.00    +0.023 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5